N-[(4-chlorophenyl)methyl]-3-methyl-2-(3-methylbutyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Chemical Structure Depiction of
N-[(4-chlorophenyl)methyl]-3-methyl-2-(3-methylbutyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
N-[(4-chlorophenyl)methyl]-3-methyl-2-(3-methylbutyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Compound characteristics
| Compound ID: | L678-0254 |
| Compound Name: | N-[(4-chlorophenyl)methyl]-3-methyl-2-(3-methylbutyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-3-carboxamide |
| Molecular Weight: | 398.93 |
| Molecular Formula: | C23 H27 Cl N2 O2 |
| Smiles: | CC(C)CCN1C(c2ccccc2CC1(C)C(NCc1ccc(cc1)[Cl])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.174 |
| logD: | 5.174 |
| logSw: | -5.4008 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.596 |
| InChI Key: | CJPREGHGUIPOFQ-QHCPKHFHSA-N |